5-methyl-3-phenyl-N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1,2-oxazole-4-carboxamide

Systemtic Name: 5-methyl-3-phenyl-N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1,2-oxazole-4-carboxamide Openeye Name: 5-methyl-3-phenyl-N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]isoxazole-4-carboxamide CAS Name: 5-methyl-3-phenyl-N-[3-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]phenyl]-4-isoxazolecarboxamide IUPAC Name: 5-methyl-3-phenyl-N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1,2-oxazole-4-carboxamide Traditional Name: 5-methyl-3-phenyl-N-[3-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]phenyl]isoxazole-4-carboxamide Formula: C23H18N6O2S MolecularWeight: 442.49302

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NC3=CC=CC(=C3)CSC4=NC=NC5=C4C=NN5

Isomeric SMILES

CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NC3=CC=CC(=C3)CSC4=NC=NC5=C4C=NN5

InChI

InChI=1S/C23H18N6O2S/c1-14-19(20(29-31-14)16-7-3-2-4-8-16)22(30)27-17-9-5-6-15(10-17)12-32-23-18-11-26-28-21(18)24-13-25-23/h2-11,13H,12H2,1H3,(H,27,30)(H,24,25,26,28)